2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

C17H17F3N6 — CID 135372128

IUPAC2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(N)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c1-11(21)10-26-24-16(23-25-26)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,22H,10,21H2,1H3
InChIKeySDKKHLKNTRPYMP-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.45
Rot. Bonds5

About 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline

2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 135372128) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID135372128
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(N)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H17F3N6/c1-11(21)10-26-24-16(23-25-26)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,22H,10,21H2,1H3
InChIKeySDKKHLKNTRPYMP-UHFFFAOYSA-N
XLogP3.45
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline (CID 135372128) is 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is CC(N)Cn1nnc(-c2ccccc2Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is SDKKHLKNTRPYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-11(21)10-26-24-16(23-25-26)14-4-2-3-5-15(14)22-13-8-6-12(7-9-13)17(18,19)20/h2-9,11,22H,10,21H2,1H3.
What are the key properties of 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline?
2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 362.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)tetrazol-5-yl]-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 135372128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).